1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

C128H130F24N10O2 — CID 158580779

IUPAC1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESCC(C)(C)c1cc(-c2ccc(C(F)(F)F)nc2)ccn1.CC(C)(C)c1cc(-c2ccc(C(F)(F)F)nc2)ccn1.CC(C)(C)c1cc(-c2ccc(C(F)(F)F)nc2)ncn1.CC(C)(C)c1cccc(-c2ccc(C(F)(F)F)cn2)c1.CC(C)(C)c1ccnc(-c2ccc(C(F)(F)F)cc2)c1.CC(C)(C)c1cncc(-c2ccc(C(F)(F)F)cc2)c1.COc1cc(-c2ccc(C(F)(F)F)cc2)cc(C(C)(C)C)c1.COc1ccc(C(C)(C)C)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/2C18H19F3O.3C16H16F3N.2C15H15F3N2.C14H14F3N3/c1-17(2,3)15-9-13(10-16(11-15)22-4)12-5-7-14(8-6-12)18(19,20)21;1-17(2,3)14-9-10-16(22-4)15(11-14)12-5-7-13(8-6-12)18(19,20)21;1-15(2,3)14-8-12(9-20-10-14)11-4-6-13(7-5-11)16(17,18)19;1-15(2,3)13-8-9-20-14(10-13)11-4-6-12(7-5-11)16(17,18)19;1-15(2,3)12-6-4-5-11(9-12)14-8-7-13(10-20-14)16(17,18)19;2*1-14(2,3)13-8-10(6-7-19-13)11-4-5-12(20-9-11)15(16,17)18;1-13(2,3)12-6-10(19-8-20-12)9-4-5-11(18-7-9)14(15,16)17/h2*5-11H,1-4H3;3*4-10H,1-3H3;2*4-9H,1-3H3;4-8H,1-3H3
InChIKeyHTFPWTZBGJIVMT-UHFFFAOYSA-N
MW2296.47 g/mol
LogP39.33
Rot. Bonds10

About 1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine

1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (PubChem CID 158580779) has the molecular formula C128H130F24N10O2 and a molecular weight of 2296.47 g/mol. Its IUPAC name is 1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
PubChem CID158580779
Molecular FormulaC128H130F24N10O2
Molecular Weight2296.47 g/mol
Exact Mass2295.00
IUPAC Name1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
SMILESCC(C)(C)c1cc(-c2ccc(C(F)(F)F)nc2)ccn1.CC(C)(C)c1cc(-c2ccc(C(F)(F)F)nc2)ccn1.CC(C)(C)c1cc(-c2ccc(C(F)(F)F)nc2)ncn1.CC(C)(C)c1cccc(-c2ccc(C(F)(F)F)cn2)c1.CC(C)(C)c1ccnc(-c2ccc(C(F)(F)F)cc2)c1.CC(C)(C)c1cncc(-c2ccc(C(F)(F)F)cc2)c1.COc1cc(-c2ccc(C(F)(F)F)cc2)cc(C(C)(C)C)c1.COc1ccc(C(C)(C)C)cc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/2C18H19F3O.3C16H16F3N.2C15H15F3N2.C14H14F3N3/c1-17(2,3)15-9-13(10-16(11-15)22-4)12-5-7-14(8-6-12)18(19,20)21;1-17(2,3)14-9-10-16(22-4)15(11-14)12-5-7-13(8-6-12)18(19,20)21;1-15(2,3)14-8-12(9-20-10-14)11-4-6-13(7-5-11)16(17,18)19;1-15(2,3)13-8-9-20-14(10-13)11-4-6-12(7-5-11)16(17,18)19;1-15(2,3)12-6-4-5-11(9-12)14-8-7-13(10-20-14)16(17,18)19;2*1-14(2,3)13-8-10(6-7-19-13)11-4-5-12(20-9-11)15(16,17)18;1-13(2,3)12-6-10(19-8-20-12)9-4-5-11(18-7-9)14(15,16)17/h2*5-11H,1-4H3;3*4-10H,1-3H3;2*4-9H,1-3H3;4-8H,1-3H3
InChIKeyHTFPWTZBGJIVMT-UHFFFAOYSA-N
XLogP39.33
TPSA147.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002296.47
LogP ≤ 539.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine with MolForge

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Related Compounds

5-{5-[2-(Pyrimidin-2-yloxy)-4-(trifluoromethyl)phenyl]pyridin-2-yl}pyrimidin-2-amine
CID 90313604
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-(2-methoxy-5-propan-2-ylphenyl)-5,5-dimethylcyclohexen-1-yl]methyl]-5-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 134154931
5-(3-{4-[3-(2,2,2-Trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-6-trifluoromethyl-pyrimidin-2-yl}-phenyl)-pyrimidin-2-ylamine
CID 60209409
4-[1-(4-Fluoro-3-methoxybenzyl)-4-piperidinyl]-5-(3-methylphenyl)-2-(4-pyridinyl)pyrimidine
CID 42424046
5-(4-Difluoromethoxy-3,5-dimethyl-phenyl)-5-(2-pyrimidin-5-yl-pyridin-4-yl)-5H-pyrrolo[3,4-b]pyridin-7-ylamine
CID 46204345
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[3-(2-methoxy-5-propan-2-ylphenyl)-6-methyl-2-pyridinyl]methyl]-5-methylpyrimidin-2-amine
CID 57551001
5-{3-[4-(3-Ethoxy-4-trifluoromethyl-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-phenyl}-pyridin-2-ylamine
CID 60209382
2-[4-[1,3-Bis[4-(difluoromethoxy)phenyl]-4-[4-(5-heptylpyrimidin-2-yl)phenyl]butan-2-yl]phenyl]-5-hexylpyrimidine
CID 68113709
4-[4-(3-Ethoxy-4-trifluoromethyl-phenyl)-6-trifluoromethyl-pyrimidin-2-yl]-[2,3']bipyridinyl-6'-ylamine
CID 86615454
2,2,2-trifluoro-N-((1-(4-(6-methoxynaphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methyl)acetamide (4-(4-(6-Methoxynaphthalen-2-yl)pyrimidin-2-yl)cyclohexyl)methanamine
CID 86627989
4-(4,4-Difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-7,7-dimethyl-2-[1-(pyrimidin-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydroquinoline
CID 86682424
2-{1-[5-(Cyclohex-1-en-1-yl)pyrimidin-2-yl]piperidin-4-yl}-4-(4,4-difluorocyclohexyl)-3-{fluoro[4-(trifluoromethyl)phenyl]methyl}-5-[(4-methoxybenzyl)oxy]-7,7-dimethyl-5,6,7,8-tetrahydroquinoline
CID 86682430

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The IUPAC name of 1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine (CID 158580779) is 1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine.
What is the SMILES notation for 1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The canonical SMILES for 1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is CC(C)(C)c1cc(-c2ccc(C(F)(F)F)nc2)ccn1.CC(C)(C)c1cc(-c2ccc(C(F)(F)F)nc2)ccn1.CC(C)(C)c1cc(-c2ccc(C(F)(F)F)nc2)ncn1.CC(C)(C)c1cccc(-c2ccc(C(F)(F)F)cn2)c1.CC(C)(C)c1ccnc(-c2ccc(C(F)(F)F)cc2)c1.CC(C)(C)c1cncc(-c2ccc(C(F)(F)F)cc2)c1.COc1cc(-c2ccc(C(F)(F)F)cc2)cc(C(C)(C)C)c1.COc1ccc(C(C)(C)C)cc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
The InChIKey is HTFPWTZBGJIVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H19F3O.3C16H16F3N.2C15H15F3N2.C14H14F3N3/c1-17(2,3)15-9-13(10-16(11-15)22-4)12-5-7-14(8-6-12)18(19,20)21;1-17(2,3)14-9-10-16(22-4)15(11-14)12-5-7-13(8-6-12)18(19,20)21;1-15(2,3)14-8-12(9-20-10-14)11-4-6-13(7-5-11)16(17,18)19;1-15(2,3)13-8-9-20-14(10-13)11-4-6-12(7-5-11)16(17,18)19;1-15(2,3)12-6-4-5-11(9-12)14-8-7-13(10-20-14)16(17,18)19;2*1-14(2,3)13-8-10(6-7-19-13)11-4-5-12(20-9-11)15(16,17)18;1-13(2,3)12-6-10(19-8-20-12)9-4-5-11(18-7-9)14(15,16)17/h2*5-11H,1-4H3;3*4-10H,1-3H3;2*4-9H,1-3H3;4-8H,1-3H3.
What are the key properties of 1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine?
1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine has a molecular weight of 2296.47 g/mol, XLogP of 39.33, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methoxy-5-[4-(trifluoromethyl)phenyl]benzene;4-tert-butyl-1-methoxy-2-[4-(trifluoromethyl)phenyl]benzene;2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine;3-tert-butyl-5-[4-(trifluoromethyl)phenyl]pyridine;4-tert-butyl-2-[4-(trifluoromethyl)phenyl]pyridine;bis(2-tert-butyl-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine);4-tert-butyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine is sourced from PubChem (CID 158580779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).